(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C25H26ClNO7 MolecularWeight: 487.92944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3NC(=O)C(C)C)OC)OC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=C(C=C3NC(=O)C(C)C)OC)OC)Cl

InChI

InChI=1S/C25H26ClNO7/c1-6-14-7-20-16(9-18(14)26)15(8-23(28)34-20)12-33-25(30)17-10-21(31-4)22(32-5)11-19(17)27-24(29)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,27,29)